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CHEBI:233893 - ADpSGEGDFXAEGGGVR*

ChEBI IDCHEBI:233893
ChEBI NameADpSGEGDFXAEGGGVR*
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H98N19O29P
Net Charge0
Average Mass1616.555
Monoisotopic Mass1615.65154
SMILESCC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(COP(=O)(O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)O)C(C)C
InChIInChI=1S/C63H98N19O29P/c1-29(2)19-37(57(101)73-32(6)53(97)76-35(15-17-48(90)91)55(99)70-24-43(84)68-23-42(83)69-25-46(87)82-51(30(3)4)61(105)77-36(62(106)107)13-10-18-67-63(65)66)79-58(102)38(20-33-11-8-7-9-12-33)80-59(103)39(21-49(92)93)75-45(86)27-71-54(98)34(14-16-47(88)89)74-44(85)26-72-56(100)41(28-111-112(108,109)110)81-60(104)40(22-50(94)95)78-52(96)31(5)64/h7-9,11-12,29-32,34-41,51H,10,13-28,64H2,1-6H3,(H,68,84)(H,69,83)(H,70,99)(H,71,98)(H,72,100)(H,73,101)(H,74,85)(H,75,86)(H,76,97)(H,77,105)(H,78,96)(H,79,102)(H,80,103)(H,81,104)(H,82,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,106,107)(H4,65,66,67)(H2,108,109,110)
InChIKeyDROFZMGQYLJNLQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
ADpSGEGDFXAEGGGVR* (CHEBI:233893) is a peptide (CHEBI:16670)
IUPAC Name 
4-[[2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-3-phosphonooxypropanoyl]amino]acetyl]amino]-5-[[2-[[3-carboxy-1-[[1-[[1-[[1-[[4-carboxy-1-[[2-[[2-[[2-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
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